N-ethyl-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-ethyl-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-ethyl-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0458 |
| Compound Name: | N-ethyl-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 463.45 |
| Molecular Formula: | C18 H27 N3 O4 |
| Salt: | CF3COOH |
| Smiles: | CCN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3376 |
| logD: | -1.1655 |
| logSw: | -1.8977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.766 |
| InChI Key: | OQBRMTKZYIAVIN-UHFFFAOYSA-N |